Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 3/20 | 0.50 |
| ▸ | HEXB | P07686 | 3/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29262764 | 0.78 | CYP2D6 (0.52) | NOS2ALDH1A1MAPTKMT2ACYP2D6 | |
| SCHEMBL28043971 | 0.78 | HEXA (0.55) | HEXAHEXBADORA2AADORA1ALDH1A1 | |
| SCHEMBL16703398 | 0.78 | DHFR (0.43) | CYP2D6TLR8TLR7DHFR | |
| SCHEMBL28043769 | 0.77 | DHFR (0.54) | ADORA2AADORA1TLR8DHFR | |
| SCHEMBL28043777 | 0.74 | ADORA2A (0.51) | HEXAHEXBADORA2AADORA1CYP2D6 | |
| SCHEMBL6345470 | 0.73 | KMT2A (0.47) | HEXAHEXBNOS2ALDH1A1MAPT | |
| SCHEMBL20242690 | 0.73 | TLR8 (0.59) | TLR8TLR7DHFR | |
| SCHEMBL30035562 | 0.73 | TLR8 (0.59) | TLR8TLR7DHFR | |
| Hydrochloric Acid SCHEMBL20421687 | 0.73 | TLR8 (0.48) | CYP2D6TLR8DHFR | |
| SCHEMBL4463336 | 0.73 | HEXA (0.47) | HEXAHEXBADORA2AADORA1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |